2-(4-methoxyphenyl)-1-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide

C21H19BrN2O — CID 21178993

IUPAC2-(4-methoxyphenyl)-1-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide
SMILESCOc1ccc(-c2c[n+]3ccccc3n2-c2ccc(C)cc2)cc1.[Br-]
InChIInChI=1S/C21H19N2O.BrH/c1-16-6-10-18(11-7-16)23-20(15-22-14-4-3-5-21(22)23)17-8-12-19(24-2)13-9-17;/h3-15H,1-2H3;1H/q+1;/p-1
InChIKeyCGXSYVKQWPODHW-UHFFFAOYSA-M
MW395.30 g/mol
LogP1.20
Rot. Bonds3

About 2-(4-methoxyphenyl)-1-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide

2-(4-methoxyphenyl)-1-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide (PubChem CID 21178993) has the molecular formula C21H19BrN2O and a molecular weight of 395.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide
PubChem CID21178993
Molecular FormulaC21H19BrN2O
Molecular Weight395.30 g/mol
Exact Mass394.07
IUPAC Name2-(4-methoxyphenyl)-1-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide
SMILESCOc1ccc(-c2c[n+]3ccccc3n2-c2ccc(C)cc2)cc1.[Br-]
InChIInChI=1S/C21H19N2O.BrH/c1-16-6-10-18(11-7-16)23-20(15-22-14-4-3-5-21(22)23)17-8-12-19(24-2)13-9-17;/h3-15H,1-2H3;1H/q+1;/p-1
InChIKeyCGXSYVKQWPODHW-UHFFFAOYSA-M
XLogP1.20
TPSA18.26 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-4-ium
CID 3293402
2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
CID 12995302
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
1-(113C)methoxy-4-methylbenzene
CID 166176950
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 2806537
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
9-(4-methoxyphenyl)-2,7-dimethylcarbazole
CID 129212267
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole
CID 159778762
[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate iodide
CID 46889708

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide?
The IUPAC name of 2-(4-methoxyphenyl)-1-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide (CID 21178993) is 2-(4-methoxyphenyl)-1-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide is COc1ccc(-c2c[n+]3ccccc3n2-c2ccc(C)cc2)cc1.[Br-].
What is the InChIKey of 2-(4-methoxyphenyl)-1-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide?
The InChIKey is CGXSYVKQWPODHW-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H19N2O.BrH/c1-16-6-10-18(11-7-16)23-20(15-22-14-4-3-5-21(22)23)17-8-12-19(24-2)13-9-17;/h3-15H,1-2H3;1H/q+1;/p-1.
What are the key properties of 2-(4-methoxyphenyl)-1-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide?
2-(4-methoxyphenyl)-1-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide has a molecular weight of 395.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide is sourced from PubChem (CID 21178993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).